N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C14H13BrFNO — CID 113315137

IUPACN-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(NC2CCCc3occc32)c(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-11-8-9(16)4-5-13(11)17-12-2-1-3-14-10(12)6-7-18-14/h4-8,12,17H,1-3H2
InChIKeyXJXHICUYFYILBE-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.67
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 113315137) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID113315137
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC NameN-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESFc1ccc(NC2CCCc3occc32)c(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-11-8-9(16)4-5-13(11)17-12-2-1-3-14-10(12)6-7-18-14/h4-8,12,17H,1-3H2
InChIKeyXJXHICUYFYILBE-UHFFFAOYSA-N
XLogP4.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluoroanilino)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891451
N-[(2-bromo-5-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466407
N-(2-fluoro-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315138
N-(2,3,4,5,6-pentafluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115564206
2-(2-bromo-4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78872855
N-(2-bromo-4-fluorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254693
N-(2,4-difluoro-5-nitrophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466227
N-(2-fluoro-4-nitrophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466444
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 43119403
8-bromo-N-(2-bromo-4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43772561
2,5-dimethyl-4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)phenol
CID 106954243
N-[3-bromo-2-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466413

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 113315137) is N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Fc1ccc(NC2CCCc3occc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is XJXHICUYFYILBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-11-8-9(16)4-5-13(11)17-12-2-1-3-14-10(12)6-7-18-14/h4-8,12,17H,1-3H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 310.17 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 113315137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).